butyl N-[4-iodanyl-2-[[2-oxidanylidene-2-[[2-[(4-sulfamoylphenyl)carbonylamino]cyclohexyl]amino]ethyl]carbamoyl]phenyl]carbamate

Systemtic Name: butyl N-[4-iodanyl-2-[[2-oxidanylidene-2-[[2-[(4-sulfamoylphenyl)carbonylamino]cyclohexyl]amino]ethyl]carbamoyl]phenyl]carbamate Openeye Name: butyl N-[4-iodo-2-[[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]phenyl]carbamate CAS Name: N-[4-iodo-2-[oxo-[[2-oxo-2-[[2-[[oxo-(4-sulfamoylphenyl)methyl]amino]cyclohexyl]amino]ethyl]amino]methyl]phenyl]carbamic acid butyl ester IUPAC Name: butyl N-[4-iodo-2-[[2-oxo-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]phenyl]carbamate Traditional Name: N-[4-iodo-2-[[2-keto-2-[[2-[(4-sulfamoylbenzoyl)amino]cyclohexyl]amino]ethyl]carbamoyl]phenyl]carbamic acid butyl ester Formula: C27H34IN5O7S MolecularWeight: 699.55763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C=C(C=C1)I)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCOC(=O)NC1=C(C=C(C=C1)I)C(=O)NCC(=O)NC2CCCCC2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C27H34IN5O7S/c1-2-3-14-40-27(37)33-21-13-10-18(28)15-20(21)26(36)30-16-24(34)31-22-6-4-5-7-23(22)32-25(35)17-8-11-19(12-9-17)41(29,38)39/h8-13,15,22-23H,2-7,14,16H2,1H3,(H,30,36)(H,31,34)(H,32,35)(H,33,37)(H2,29,38,39)